2-[4-[(2-ethoxyphenyl)carbonylcarbamothioyl]piperazin-1-ium-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-[4-[(2-ethoxyphenyl)carbonylcarbamothioyl]piperazin-1-ium-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[4-[(2-ethoxybenzoyl)carbamothioyl]piperazin-1-ium-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[4-[[[(2-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 2-[4-[(2-ethoxybenzoyl)carbamothioyl]piperazin-1-ium-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[4-[(2-ethoxybenzoyl)thiocarbamoyl]piperazin-1-ium-1-yl]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C24H26N6O5S MolecularWeight: 510.56544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)[NH+]3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4OCC)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)[NH+]3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4OCC)C(=O)[O-]

InChI

InChI=1S/C24H26N6O5S/c1-3-28-14-17(22(33)34)19(31)16-13-25-23(26-20(16)28)29-9-11-30(12-10-29)24(36)27-21(32)15-7-5-6-8-18(15)35-4-2/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,33,34)(H,27,32,36)